(E)-2-[3,4-bis(oxidanyl)phenyl]carbonyl-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[3,4-bis(oxidanyl)phenyl]carbonyl-3-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-(3,4-dihydroxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-[(3,4-dihydroxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-2-(3,4-dihydroxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-2-protocatechuoyl-acrylonitrile Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC(=C(C=C2)O)O)Br)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=C(C=C2)O)O)Br)O

InChI

InChI=1S/C20H18BrNO4/c1-20(2,3)14-7-11(8-15(21)19(14)26)6-13(10-22)18(25)12-4-5-16(23)17(24)9-12/h4-9,23-24,26H,1-3H3/b13-6+